Oseltamivir acid
Identification
- Name
- Oseltamivir acid
- Accession Number
- DB02600
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Oseltamivir acid (DB02600)
- Weight
- Average: 284.3514
Monoisotopic: 284.173607266 - Chemical Formula
- C14H24N2O4
- Synonyms
- Oseltamivir carboxylate
- Oseltamivir free acid
- External IDs
- GS 4071
- GS-4071
- GS4071
- RO-64-0802
- RO-640802
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UNeuraminidase Not Available Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9) - Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half-life
- Not Available
- Clearance
- Not Available
- Adverse Effects
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Oseltamivir acid. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Oseltamivir acid. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Oseltamivir acid. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Oseltamivir acid. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Oseltamivir acid. Human adenovirus e serotype 4 strain cl-68578 antigen The therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Oseltamivir acid. Rubella virus vaccine The therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Oseltamivir acid. Typhoid Vaccine Live The therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with Oseltamivir acid. Varicella zoster vaccine (live/attenuated) The therapeutic efficacy of Varicella Zoster Vaccine (Live/attenuated) can be decreased when used in combination with Oseltamivir acid. Vibrio cholerae CVD 103-HgR strain live antigen The therapeutic efficacy of Vibrio cholerae CVD 103-HgR strain live antigen can be decreased when used in combination with Oseltamivir acid. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Gamma amino acids and derivatives
- Alternative Parents
- Acetamides / Secondary carboxylic acid amides / Amino acids / Monocarboxylic acids and derivatives / Dialkyl ethers / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Acetamide / Aliphatic homomonocyclic compound / Amine / Amino acid / Carbonyl group / Carboxamide group / Carboxylic acid / Dialkyl ether / Ether / Gamma amino acid or derivatives show 11 more
- Molecular Framework
- Aliphatic homomonocyclic compounds
- External Descriptors
- acetate ester, primary amino compound, amino acid, cyclohexenecarboxylic acid (CHEBI:73139)
Chemical Identifiers
- UNII
- K6106LV5Q8
- CAS number
- 187227-45-8
- InChI Key
- NENPYTRHICXVCS-YNEHKIRRSA-N
- InChI
- InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
- IUPAC Name
- (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
- SMILES
- CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 2ht7 / 2ht8 / 2hu0 / 2hu4 / 2qwh / 2qwk / 2ya8 / 3cl0 / 3cl2 / 3k3a … show 29 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.15 mg/mL ALOGPS logP -1.3 ALOGPS logP -1.8 ChemAxon logS -2 ALOGPS pKa (Strongest Acidic) 4.19 ChemAxon pKa (Strongest Basic) 9.33 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 101.65 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 74.69 m3·mol-1 ChemAxon Polarizability 30.33 Å3 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.6873 Blood Brain Barrier - 0.9734 Caco-2 permeable - 0.7604 P-glycoprotein substrate Substrate 0.6371 P-glycoprotein inhibitor I Non-inhibitor 0.7154 P-glycoprotein inhibitor II Non-inhibitor 0.9696 Renal organic cation transporter Non-inhibitor 0.9664 CYP450 2C9 substrate Non-substrate 0.8731 CYP450 2D6 substrate Non-substrate 0.8359 CYP450 3A4 substrate Non-substrate 0.5248 CYP450 1A2 substrate Non-inhibitor 0.9025 CYP450 2C9 inhibitor Non-inhibitor 0.8743 CYP450 2D6 inhibitor Non-inhibitor 0.9302 CYP450 2C19 inhibitor Non-inhibitor 0.7786 CYP450 3A4 inhibitor Non-inhibitor 0.8916 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9272 Ames test Non AMES toxic 0.7984 Carcinogenicity Non-carcinogens 0.8903 Biodegradation Not ready biodegradable 0.8003 Rat acute toxicity 2.2356 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9874 hERG inhibition (predictor II) Non-inhibitor 0.9614
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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with our fully connected ADMET & drug target dataset.
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- Kind
- Protein
- Organism
- Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9)
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus...
- Gene Name
- NA
- Uniprot ID
- P03472
- Uniprot Name
- Neuraminidase
- Molecular Weight
- 52468.405 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Drug created on June 13, 2005 13:24 / Updated on August 01, 2020 13:44